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CAS 16617-46-2
Also known as: 16617-46-2, 5-amino-1h-pyrazole-4-carbonitrile, 3-amino-1h-pyrazole-4-carbonitrile, 3-amino-4-cyanopyrazole, 1204396-41-7, 3-aminopyrazole-4-carbonitrile
Molecular Formula
C4H4N4
Molecular Weight
108.10  g/mol
InChI Key
FFNKBQRKZRMYCL-UHFFFAOYSA-N
FDA UNII
OOB953S9X2

1 2D Structure

CAS 16617-46-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-amino-1H-pyrazole-4-carbonitrile
2.1.2 InChI
InChI=1S/C4H4N4/c5-1-3-2-7-8-4(3)6/h2H,(H3,6,7,8)
2.1.3 InChI Key
FFNKBQRKZRMYCL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=NNC(=C1C#N)N
2.2 Other Identifiers
2.2.1 UNII
OOB953S9X2
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 5-amino-4-cyanopyrazole

2.3.2 Depositor-Supplied Synonyms

1. 16617-46-2

2. 5-amino-1h-pyrazole-4-carbonitrile

3. 3-amino-1h-pyrazole-4-carbonitrile

4. 3-amino-4-cyanopyrazole

5. 1204396-41-7

6. 3-aminopyrazole-4-carbonitrile

7. 5-amino-4-cyanopyrazole

8. 1h-pyrazole-4-carbonitrile, 3-amino-

9. 5-aminopyrazole-4-carbonitrile

10. 3-amino-4-cyano-1h-pyrazole

11. 5-amino-4-pyrazolecarbonitrile

12. 4-cyano-5-aminopyrazole

13. 3-amino-4-cyano Pyrazole

14. Pyrazole-4-carbonitrile, 3-amino-

15. 3-amino-pyrazole-4-carbonitrile

16. 3-amino-2h-pyrazole-4-carbonitrile

17. Mfcd00005237

18. Nsc 44932

19. Oob953s9x2

20. Nsc-44932

21. 3-aminopyrazole-4-nitrile

22. Unii-oob953s9x2

23. 3-aminopyrazole-4-carbonitril

24. Nsc44932

25. 1h-pyrazole-3-amino-4-carbonitrile

26. Einecs 240-665-6

27. 3-amino-4cyanopyrazole

28. 1h-pyrazole-4-carbonitrile,3-amino-

29. 3-amino-4-cyano-pyrazole

30. 3-amino-4-cyano-1h-pyrazol

31. Schembl174458

32. 5-amino-4-cyano-1h-pyrazole

33. 4-cyano-2h-pyrazol-3-ylamine

34. 3-amino-4-pyrazole Carbonitrile

35. 4-cyano-3-aminopyrazole

36. Dtxsid9066091

37. Act07896

38. Albb-020135

39. Bcp32228

40. Str01102

41. Bbl012129

42. Mfcd00067703

43. Sc2261

44. Stk347617

45. Zinc18217608

46. 3-a Mino-1h-pyrazole-4-carbonitrile

47. 3-aminopyrazole-4-carbonitrile, 97%

48. 3-fluoro Methamphetamine Hydrochloride

49. Akos000260139

50. Akos000305911

51. 1h-pyrazole-4-carbonitrile, 5-amino-

52. Ac-1230

53. Cs-w001964

54. Pb48912

55. Wt82361

56. Cyanopyrazolamine [usp Impurity]

57. Bp-12602

58. Sy001600

59. Db-022228

60. Am20080471

61. Ft-0614906

62. Ft-0658250

63. En300-13228

64. 17a462

65. 617a462

66. A892201

67. Q-100199

68. Q27285758

69. 4-amino-4-cyanopyrazole;3-amino-1h-pyrazole-4-carbonitrile

70. Zaleplon Impurity, Cyanopyrazolamine-[usp Impurity]

71. 8-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzoyl]-1,4-dioxa-8-azaspiro[4.5]decane

72. 5-aminopyrazole-4-carbonitrile; 5-amino-4-cyanopyrazole; 3-aminopyarazole-4-carbonitrile;3-amino-1h-pyrazole-4-carbonitrile

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 108.10 g/mol
Molecular Formula C4H4N4
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass108.043596145 g/mol
Monoisotopic Mass108.043596145 g/mol
Topological Polar Surface Area78.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity123
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Chynops Pharma, a company certified with ISO 9001:2015, is situated in Ahmedabad, India. We specialize in...
Chynops Pharma, a company certified with ISO 9001:2015, is situated in Ahmedabad, India. We specialize in exporting, supplying, and trading a wide range of products, including APIs, Advanced Drug Intermediates, Impurity Standards, Working Standards, KSMs, Industrial Chemicals, Specialty Chemicals, Excipients, Amino Acids, Vitamins, Minerals, Herbal Extracts, Essential Oils, Prebiotics & Probiotics, Veterinary APIs, Solvents, and more from India. Our commitment extends to providing these products to valued customers in both the domestic and global markets.
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Enal Drugs Private Limited,an ISO 9001 : 2000 certified company, specializes in developing and producing ...
Enal Drugs Private Limited,an ISO 9001 : 2000 certified company, specializes in developing and producing anti ulcerative drugs, their intermediates, other active pharmaceutical ingredients (APIs) and intermediates. The project implementation commenced in the year 1990. Experimental batches in pilot plant were undertaken and commercial production started in the year 1996. The promoters are first generation entrepreneurs with high technical qualifications, professional experience and leadership qualities team spirit and confidence to make this activity a successful business venture.
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At Infinium Pharmachem Pvt. Ltd., we are well focused to Iodine chemistry & this is the only core area of...
At Infinium Pharmachem Pvt. Ltd., we are well focused to Iodine chemistry & this is the only core area of ours. We are working as CRAMS, but our domain is very restricted to Iodine chemistry & it revolves around Iodine derivatives or Iodination. We manufacture & supply wide range of superior quality Iodine Derivatives & API Since 2003. We are also providing fully integrated customized services from R & D to Commercial scale manufacturing and packaging for our products to the Pharmaceutical,Agrochemical,Nutraceutical, Speciality Chemicals & various other chemical Industries.
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